6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid

C14H10F3NO3 — CID 70280706

IUPAC6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)9-3-1-2-8(6-9)7-11-10(13(20)21)4-5-12(19)18-11/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyJHJGHVSQVZHYEQ-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.68
Rot. Bonds3

About 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid

6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid (PubChem CID 70280706) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
PubChem CID70280706
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)[nH]c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)9-3-1-2-8(6-9)7-11-10(13(20)21)4-5-12(19)18-11/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyJHJGHVSQVZHYEQ-UHFFFAOYSA-N
XLogP2.68
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
2,4-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxylic acid
CID 115114703
5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964
6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091897
4-hydroxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinolin-2-one
CID 157261147
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
9-ethyl-4-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9-tetrahydroquinolizine-1-carboxylic acid
CID 129080105
2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 82108139
2,5-dichloro-4-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid
CID 45140788
2-(2-oxobut-3-enyl)-6-[[3-(trifluoromethyl)phenyl]methyl]benzoic acid
CID 167682714

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid (CID 70280706) is 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)[nH]c1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is JHJGHVSQVZHYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)9-3-1-2-8(6-9)7-11-10(13(20)21)4-5-12(19)18-11/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid?
6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 70280706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).